Search MNXref
 Feedback

(+)-epigallocatechin

PropertiesImage
MNX_IDMNXM114768 Image of MNXM114768
referencechebi:71227
formulaC15H14O7
global charge0
mol weight306.27
InChIKeyXMOCLSLCDHWDHP-WFASDCNBSA-N
InChIInChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1
SMILESOC1=CC2=C(C[C@H](O)[C@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m0/s1 Image of MNXM114768
SMILES (mnx)[CH:1]1=[C:6]([C@H:15]2[C@@H:12]([OH:20])[CH2:5][C:8]3=[C:9]([OH:17])[CH:3]=[C:7]([OH:16])[CH:4]=[C:13]3[O:22]2)[CH:2]=[C:11]([OH:19])[C:14]([OH:21])=[C:10]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71227
chebi:71227
XMOCLSLCDHWDHP-WFASDCNBSA-N 		(+)-epigallocatechin
(+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
(+)-cis-3,3',4',5,5',7-hexahydroxyflavane
(+)-epi-gallocatechin
(2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2S,3S)-flavan-3,3',4',5,5',7-hexol
(2S,3S)-flavan-3,5,7,3',4',5'-hexol

metacyc.compound:CPD-19101
metacycM:CPD-19101
seed.compound:cpd34539
seedM:cpd34539
XMOCLSLCDHWDHP-WFASDCNBSA-N 		(+)-epigallocatechin
(2S,3S)-epigallocatechin

seedM:M_cpd34539 		secondary/obsolete/fantasy identifier